Journal
JOURNAL OF SOLID STATE CHEMISTRY
Volume 182, Issue 4, Pages 767-777Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jssc.2008.12.019
Keywords
High pressure; Powder X-ray diffraction; Density functional theory; Phase transition; Bismuth oxides
Funding
- DFG [WI1232/25-1, WI1232/26-1]
- DAAD
- ESRF
- Christiane Nusslein-Volhard foundation
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The high-pressure behavior of Bi2Al4O9, Bi2Mn4O10 and Bi2Ga4O9 was investigated by in situ powder synchrotron X-ray diffraction. Pressures up to 35 GPa were generated using the diamond anvil cell technique. complementary data of the pressure dependence of Bi2Ga4O9 were obtained by density functional theory-based model calculations. Bi2Al4O9 and Bi2Mn4O10 are structurally stable to the highest pressures obtained. In contrast, a reversible phase transition is observed in Bi2Ga4O9 at approximately 16 GPa. A fit of a 3rd-order Birch-Murnaghan equation of state to the p-V data results in V-0 = 356.93(9) angstrom(3), B-0 = 122(2) GPa and B' = 4.9(3) for Bi2Al4O9; V-0 = 372.27(1) angstrom(3), B-0 = 138(2) GPa and B' = 4.2(2) for Bi2Mn4O10; and V-0 = 388.63(3) angstrom(3), B-0 = 102(8) GPa and B' = 3.8(2) for Bi2Ga4O9. The most compressible axis is the a axis for all the compounds. This behavior can be rationalized in terms of the inflexible polyhedra connections parallel to the b and c axes. (C) 2009 Elsevier Inc. All rights reserved.
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